Geometry & MOs

Info

ID:	341226
PubChem CID:	127263661
Reduced:	ClNOF3C9H11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	257.025283
ΔH_f, kcal/mol:	-217.34
Dipole, Da:	4.11
IP(EA), eV:	-9.3(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](C(F)(F)F)N.Cl

DOS

IR

Vibrations